Structure Database (LMSD)
Common Name
3-propylmalic acid
Systematic Name
2-hydroxy-3-propylbutanedioic acid
Synonyms
- 3-propylmalic acid
3D model of 3-propylmalic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
LOLHYFQEDPGSHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
SMILES (Click to copy)
C(=O)(O)C(O)C(CCC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
168.33
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
0.22
Molar Refractivity
40.19
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Created at
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Updated at
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